[CPMD-list] RESTART ... LATEST fails

[Weiguo Yin]

Dear members of CPMD-List,

The following is an example of the failure of the LASTEST option of
RESTART:

Firstly, I performed a two-step MD run for two hydrogen atoms to generate
two restart files, namely RESTART.1 and RESTART.2. The resulting LATEST
file reads
 ./RESTART.2
 2

Seondly, I tried to perform an one-step MD run with the "RESTART
WAVEFUNCTION COORDINATES LATEST" command. Unfortunately, I got the
following error message:
"ZHRWF| RESTART FILE NOT FOUND:                         ./RESTART"

The input files for this procedure are enclosed in the end.

The user guide (CPMD 3.7.0, p 73) is telling us that the use of the LATEST
option is dangerous. The saftest way is to manually copy the RESTART.? file
to RESTART and not to use LATEST.

Good luck,

Weiguo Yin
====
Physics Department
University of Nebraska at Omaha
Omaha, NE 68182
E-mail: wgyin at yahoo.com

===== Input file for the first run =====
&CPMD
  MOLECULAR DYNAMICS
  RESTART WAVEFUNCTION COORDINATES LASTEST
  EMASS
    500
  TIMESTEP
    0.0000001
  MAXSTEP
    2
  STORE
    1
  RESTFILE
    2
&END
&SYSTEM
  SYMMETRY
    1
  CELL
    10.000 1.0 1.0 0.0 0.0 0.0
  CUTOFF
    10
&END
&ATOMS
*H_MT_LDA
  LMAX=S
     2
     0.5     0.     0.
    -0.5     0.     0.
&END

&DFT
  NEWCODE
  FUNCTIONAL LDA
&END

===== Input file for the second run =====
&CPMD
  MOLECULAR DYNAMICS
  RESTART WAVEFUNCTION COORDINATES LASTEST
  EMASS
    500
  TIMESTEP
    0.0000001
  MAXSTEP
    1
&END
&SYSTEM
  SYMMETRY
    1
  CELL
    10.000 1.0 1.0 0.0 0.0 0.0
  CUTOFF
    10
&END
&ATOMS
*H_MT_LDA
  LMAX=S
     2
     1.0     0.     0.
    -1.0     0.     0.
&END

&DFT
  NEWCODE
  FUNCTIONAL LDA
&END